1-(5-chlorothiophen-2-ylsulfonyl)-3-(4-(6-fluoro-7-(methylamino)-4-oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)phenyl)urea

HCID 11627632

Notes Reactions

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Basic information

Standard SMILES: CNc1cc2c(cc1F)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)cc1)CO2
InChIKey: HGEFXLZUCAXXJT-UHFFFAOYSA-N
Molecular formula: C20H16ClFN4O5S2
Average molar mass: 510.9 g/mol

Names & identifiers

Preferred name: 1-(5-chlorothiophen-2-ylsulfonyl)-3-(4-(6-fluoro-7-(methylamino)-4-oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)phenyl)urea
IUPAC: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-fluoro-7-(methylamino)-4-oxo-2H-1,3-benzoxazin-3-yl]phenyl]urea

Names & synonyms

SCHEMBL5520241HGEFXLZUCAXXJT-UHFFFAOYSA-N1-(5-chlorothiophen-2-ylsulfonyl)-3-(4-(6-fluoro-7-(methylamino)-4-oxo-2H-benzo[e][1,3]oxazin-3(4H)-yl)phenyl)urea

Database identifiers

PubChem CID: 11627632

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 153 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 33
Formal charge: 0
Complexity: 839

Related reactions

2 records

New reaction record

HRID 113783As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1271049As productuspto-grants-2007_04

Compound notes

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